NIST 08031215083D 1 1.00000 -1842.08280 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 22 23 0 0 0 0 0 0 0 0999 V2000 6.2080 2.0002 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6891 0.7157 0.2423 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9387 2.1785 -0.5352 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1585 1.0646 -0.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9209 -0.4209 -0.0524 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6407 -0.2326 -0.6119 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5767 1.3351 -1.5423 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.5030 -1.7648 0.2319 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8706 -2.6569 1.1103 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4710 -3.8790 1.3989 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6715 -4.9835 2.5111 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.6646 -1.6120 -1.0643 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.7345 -2.1239 -0.3345 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6921 -4.2456 0.8336 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3185 -3.3553 -0.0375 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8177 2.8652 0.2493 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6718 0.5741 0.6814 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5425 3.1703 -0.7236 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9248 -2.3978 1.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2256 -1.4406 -1.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1376 -5.2052 1.0726 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2684 -3.6269 -0.4892 H 0 0 0 0 0 0 0 0 0 0 0 0 4 7 1 0 5 8 1 0 6 12 1 0 10 11 1 0 1 2 1 0 2 5 2 0 5 6 1 0 6 4 2 0 4 3 1 0 1 3 2 0 8 9 1 0 9 10 2 0 10 14 1 0 14 15 2 0 15 13 1 0 8 13 2 0 1 16 1 0 2 17 1 0 3 18 1 0 9 19 1 0 13 20 1 0 14 21 1 0 15 22 1 0 M END > Collection (C) 2016 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. > 2012-08-03 > 38444-84-7 > B3LYP/6-31G* > 3.6697 debye > -1842.08280197 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 33.7359 0.1989 49.5461 0.0457 68.9345 0.1988 122.5644 0.2191 194.7774 0.0264 212.5292 0.0528 218.1681 0.0275 240.2578 0.2592 249.2962 0.5603 286.5897 1.2971 358.2874 0.1984 383.5790 1.7213 422.6438 4.6073 446.4837 1.0246 470.0273 1.3572 486.4943 8.9762 518.5082 0.2693 577.9439 0.6737 607.0413 0.1165 649.3213 8.4361 705.7307 10.8590 714.4084 29.1150 734.8418 16.3792 751.0711 31.1471 794.6442 45.0895 806.0405 14.2224 846.0351 30.6880 905.4031 5.6690 913.7906 0.5464 922.6706 0.4441 977.6710 0.4926 979.7917 0.1955 1014.6992 3.9209 1047.7788 31.5920 1086.9451 18.0733 1112.6929 22.3515 1126.8084 13.0883 1146.9405 5.5081 1182.6038 22.2369 1204.2556 0.3485 1226.8548 10.8737 1298.6400 0.8695 1310.0696 4.0039 1326.5702 1.1976 1353.7353 0.9713 1437.5595 52.0260 1463.3709 11.7036 1491.8779 45.5317 1527.6914 12.9607 1609.6487 19.0518 1625.1257 33.8949 1634.5556 8.0187 1651.5631 21.3618 3196.0546 7.1032 3201.2761 4.2648 3211.6228 8.9299 3216.0867 8.6664 3228.8447 5.2417 3230.0311 4.2191 3233.4492 0.1075 > 0.82073 GHz 0.23582 GHz 0.20281 GHz > Gaussian 09, Revision C.01 > Alexander Yang $$$$